1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[3-(benzotriazol-1-ylmethyl)-4-methoxy-benzylidene]amino]-3-phenyl-thiourea Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=S)NC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H20N6OS/c1-29-21-12-11-16(14-23-26-22(30)24-18-7-3-2-4-8-18)13-17(21)15-28-20-10-6-5-9-19(20)25-27-28/h2-14H,15H2,1H3,(H2,24,26,30)/b23-14+