3-[bis(azanyl)methylidene]-1,1-bis(phenylmethyl)guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 3-[bis(azanyl)methylidene]-1,1-bis(phenylmethyl)guanidine; 4-methylbenzenesulfonic acid Openeye Name: 1,1-dibenzyl-3-(diaminomethylene)guanidine; 4-methylbenzenesulfonic acid CAS Name: 3-(diaminomethylidene)-1,1-bis(phenylmethyl)guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1,1-dibenzyl-3-(diaminomethylidene)guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1,1-dibenzyl-3-(diaminomethylene)guanidine; tosylic acid Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=N)N=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=N)N=C(N)N

InChI

InChI=1S/C16H19N5.C7H8O3S/c17-15(18)20-16(19)21(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11-12H2,(H5,17,18,19,20);2-5H,1H3,(H,8,9,10)