S-azanyl ethanethioate; propylbenzene

Systemtic Name: S-azanyl ethanethioate; propylbenzene Openeye Name: S-amino ethanethioate; propylbenzene CAS Name: ethanethioic acid S-amino ester; propylbenzene IUPAC Name: S-amino ethanethioate; propylbenzene Traditional Name: ethanethioic acid S-amino ester; propylbenzene Formula: C11H17NOS MolecularWeight: 211.32378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1.CC(=O)SN

Isomeric SMILES

CCCC1=CC=CC=C1.CC(=O)SN

InChI

InChI=1S/C9H12.C2H5NOS/c1-2-6-9-7-4-3-5-8-9;1-2(4)5-3/h3-5,7-8H,2,6H2,1H3;3H2,1H3